BindingDB logo
myBDB logout

null

SMILES: OC(=O)Cn1c2CC[C@](Cc2c2ccc(Cl)cc12)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1cccc(F)c1

InChI Key: InChIKey=YULVGCTXLUHJTI-GDLZYMKVSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 405944   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Coagulation factor IX


(Homo sapiens (Human))		BDBM405944
PNG
(US10351558, Example 119)
Show SMILES OC(=O)Cn1c2CC[C@](Cc2c2ccc(Cl)cc12)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C29H22Cl2FN5O3/c30-18-4-6-21-23-13-29(17-2-1-3-19(32)10-17,9-8-25(23)37(14-27(38)39)26(21)11-18)35-28(40)22-7-5-20(12-24(22)31)36-15-33-34-16-36/h1-7,10-12,15-16H,8-9,13-14H2,(H,35,40)(H,38,39)/t29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.17n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
TBD

US Patent US10351558 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GKR
More data for this
Ligand-Target Pair